General Information of the Compound
| Compound ID |
CP0444313
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| Compound Name |
3-cyclohexyl-2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-1-benzothiophene
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| Structure |
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| Formula |
C26H31F2O3PS
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| Molecular Weight |
492.568
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CCCCC1
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| InChI |
InChI=1S/C26H31F2O3PS/c1-3-30-32(29,31-4-2)23(17-18-14-15-21(27)22(28)16-18)26-25(19-10-6-5-7-11-19)20-12-8-9-13-24(20)33-26/h8-9,12-16,19,23H,3-7,10-11,17H2,1-2H3
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| InChIKey |
BANAYAVDRKIVRZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound